bromanylbenzene; 1-(5-chloranyl-3-cyano-thiophen-2-yl)-3-hexyl-urea

Systemtic Name: bromanylbenzene; 1-(5-chloranyl-3-cyano-thiophen-2-yl)-3-hexyl-urea Openeye Name: bromobenzene; 1-(5-chloro-3-cyano-2-thienyl)-3-hexyl-urea CAS Name: bromobenzene; 1-(5-chloro-3-cyano-2-thiophenyl)-3-hexylurea IUPAC Name: bromobenzene; 1-(5-chloro-3-cyanothiophen-2-yl)-3-hexylurea Traditional Name: bromobenzene; 1-(5-chloro-3-cyano-2-thienyl)-3-hexyl-urea Formula: C18H21BrClN3OS MolecularWeight: 442.80084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1=C(C=C(S1)Cl)C#N.C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCCCNC(=O)NC1=C(C=C(S1)Cl)C#N.C1=CC=C(C=C1)Br

InChI

InChI=1S/C12H16ClN3OS.C6H5Br/c1-2-3-4-5-6-15-12(17)16-11-9(8-14)7-10(13)18-11;7-6-4-2-1-3-5-6/h7H,2-6H2,1H3,(H2,15,16,17);1-5H